{"id":1254,"date":"2020-01-05T17:24:50","date_gmt":"2020-01-05T16:24:50","guid":{"rendered":"https:\/\/site.uit.no\/nordco2\/?p=1254"},"modified":"2024-10-11T12:26:55","modified_gmt":"2024-10-11T10:26:55","slug":"new-research-article-by-the-hopmann-group","status":"publish","type":"post","link":"https:\/\/site.uit.no\/nordco2\/2020\/01\/05\/new-research-article-by-the-hopmann-group\/","title":{"rendered":"New research article by the Hopmann\/Bayer group"},"content":{"rendered":"<p><strong>Abstract<\/strong><br \/>\nThe copper-NHC-catalyzed carboxylation of organoboranes with CO<sub>2<\/sub>\u00a0was investigated using computational and experimental methods. The DFT and DLPNO-CCSD(T) results indicate that nonbenzylic substrates are converted via an inner-sphere carboxylation of an organocopper intermediate, whereas benzylic substrates may simultaneously proceed along both inner- and outer-sphere CO<sub>2<\/sub>\u00a0insertion pathways. Interestingly, the computations predict that two conceptually different carboxylation mechanisms are possible for benzylic organoboranes, one being copper-catalyzed and one being mediated by the reaction additive CsF. Our experimental evaluation of the computed reactions confirms that carboxylation of nonbenzylic substrates requires copper catalysis, whereas benzylic substrates can be carboxylated with and without copper.<br \/>\n<img fetchpriority=\"high\" decoding=\"async\" class=\"size-full wp-image-1255 aligncenter\" src=\"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2020\/04\/om9b00710_0012.gif\" alt=\"\" width=\"500\" height=\"276\" \/><\/p>\n<p style=\"text-align: center\"><strong>Read at:<a href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/acs.organomet.9b00710\"><img decoding=\"async\" class=\"size-full wp-image-1236 aligncenter\" src=\"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2020\/04\/acs_journal_logo.png\" alt=\"\" width=\"481\" height=\"82\" srcset=\"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2020\/04\/acs_journal_logo.png 481w, https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2020\/04\/acs_journal_logo-300x51.png 300w, https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2020\/04\/acs_journal_logo-480x82.png 480w\" sizes=\"(max-width: 481px) 100vw, 481px\" \/><\/a><\/strong><\/p>\n<p>For a list of publications by the members of NordCO<sub>2<\/sub>, see our <a href=\"https:\/\/site.uit.no\/nordco2\/publications\/\">Publications<\/a> page!<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Abstract The copper-NHC-catalyzed carboxylation of organoboranes with CO2\u00a0was investigated using computational and experimental methods. The DFT and DLPNO-CCSD(T) results indicate that nonbenzylic substrates are converted &hellip;<\/p>\n","protected":false},"author":514,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"ngg_post_thumbnail":0,"footnotes":""},"categories":[8],"tags":[],"class_list":["post-1254","post","type-post","status-publish","format-standard","hentry","category-research"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v28.8 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>New research article by the Hopmann\/Bayer group - Nordic Consortium for CO2 Conversion<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/site.uit.no\/nordco2\/2020\/01\/05\/new-research-article-by-the-hopmann-group\/\" \/>\n<meta property=\"og:locale\" content=\"en_GB\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"New research article by the Hopmann\/Bayer group - Nordic Consortium for CO2 Conversion\" \/>\n<meta property=\"og:description\" content=\"Abstract The copper-NHC-catalyzed carboxylation of organoboranes with CO2\u00a0was investigated using computational and experimental methods. The DFT and DLPNO-CCSD(T) results indicate that nonbenzylic substrates are converted &hellip;\" \/>\n<meta property=\"og:url\" content=\"https:\/\/site.uit.no\/nordco2\/2020\/01\/05\/new-research-article-by-the-hopmann-group\/\" \/>\n<meta property=\"og:site_name\" content=\"Nordic Consortium for CO2 Conversion\" \/>\n<meta property=\"article:published_time\" content=\"2020-01-05T16:24:50+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2024-10-11T10:26:55+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/site.uit.no\/nordco2\/wp-content\/uploads\/sites\/344\/2020\/04\/om9b00710_0012.gif\" \/>\n<meta name=\"author\" content=\"joehh\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"joehh\" \/>\n\t<meta name=\"twitter:label2\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"1 minute\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\\\/\\\/schema.org\",\"@graph\":[{\"@type\":\"Article\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2020\\\/01\\\/05\\\/new-research-article-by-the-hopmann-group\\\/#article\",\"isPartOf\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2020\\\/01\\\/05\\\/new-research-article-by-the-hopmann-group\\\/\"},\"author\":{\"name\":\"joehh\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#\\\/schema\\\/person\\\/993cf3b27a956c23c8da21d29fe6bd7c\"},\"headline\":\"New research article by the Hopmann\\\/Bayer group\",\"datePublished\":\"2020-01-05T16:24:50+00:00\",\"dateModified\":\"2024-10-11T10:26:55+00:00\",\"mainEntityOfPage\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2020\\\/01\\\/05\\\/new-research-article-by-the-hopmann-group\\\/\"},\"wordCount\":126,\"publisher\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/#organization\"},\"image\":{\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2020\\\/01\\\/05\\\/new-research-article-by-the-hopmann-group\\\/#primaryimage\"},\"thumbnailUrl\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/wp-content\\\/uploads\\\/sites\\\/344\\\/2020\\\/04\\\/om9b00710_0012.gif\",\"articleSection\":[\"Research\"],\"inLanguage\":\"en-GB\"},{\"@type\":\"WebPage\",\"@id\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2020\\\/01\\\/05\\\/new-research-article-by-the-hopmann-group\\\/\",\"url\":\"https:\\\/\\\/site.uit.no\\\/nordco2\\\/2020\\\/01\\\/05\\\/new-research-article-by-the-hopmann-group\\\/\",\"name\":\"New research article by the Hopmann\\\/Bayer group - 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